SCHEMBL3260854

SCHEMBL3260854

N=C1CCc2ccccc2N1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.57
MAPK13 O15264 1/20 0.57
MAPK12 P53778 1/20 0.57
MAPK11 Q15759 1/20 0.57
MAPK14 Q16539 1/20 0.57
MAPT P10636 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 2/20 0.50
GAA P10253 1/20 0.50
ALDH1A1 P00352 1/20 0.47
AHR P35869 1/20 0.43
PDK2 Q15119 1/20 0.43
HSP90AA1 P07900 1/20 0.43
THRB P10828 1/20 0.43
HK1 P19367 1/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43
RAB9A P51151 1/20 0.43
GALK1 P51570 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7622487 0.87 MAPT (0.60) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL407439 0.83 NPC1 (0.70) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL7621950 0.79 MAPT (0.56) NPC1MAPK13MAPK12MAPK11MAPK14
Hydrochloric Acid SCHEMBL30989577 0.77 MAPT (0.54) NPC1MAPK13MAPK12MAPK11MAPK14
Hydrochloric Acid SCHEMBL6217638 0.77 MAPT (0.54) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL6469101 0.74 NPC1 (0.72) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL4861947 0.73 MAPT (0.72) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL88725 0.73 MEN1 (0.65) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL9688137 0.73 NPC1 (0.57) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL4227502 0.73 NPC1 (1.00) NPC1MAPK13MAPK12MAPK11MAPK14

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1077886-C Amidino derivatives useful as nitric oxide synthase inhibitors SEARLE & CO (US) 2002-01-16 CN claimed
EP-0897912-A1 Amidino derivatives useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 1999-02-24 EP claimed
CN-1137268-A Amidino derivatives useful as nitric oxide synthase inhibitors SEARLE & CO (US) 1996-12-04 CN claimed
EP-0724570-A1 AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-08-07 EP claimed
WO-1995011231-A1 AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G. D. SEARLE & CO. (US) 1995-04-27 WO claimed
CN-110891938-A Tetrahydro-benzo [ D ] azepin slow derivatives as GPR120 modulators 卡尔丹治疗有限公司 2020-03-17 CN disclosed
US-20100035924-A1 NOVEL 4-AMINO-PYRIDINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-02-11 US disclosed
EP-2083821-A1 NOVEL 4-AMINO-PYRIDINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2009-08-05 EP disclosed
WO-2008058536-A1 NOVEL 4-AMINO-PYRIDINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-05-22 WO disclosed
US-6448286-B1 PREFERENTIALLY INHIBITS OR MODULATES INDUCIBLE OVER CONSTITUTIVE ISOFORM OF NITRIC OXIDE SYNTHASE; SIDE EFFECT REDUCTION G.D. SEARLE & CO. 2002-09-10 US disclosed
US-6071906-A INHIBITS OR MODULATES THE INDUCIBLE ISOFORM OF NITRIC OXIDE SYNTHASE OVER THE THE CONSTITUTIVE ISOFORMS; ANTIARTHRITIC, -DIABETIC, ISCHEMIC, THROMBOSIS AGENTS; CARDIOVASCULAR DISORDERS; TOXIC SHOCK SYNDROME; AUTOIMMUNE DISEASES G. D. SEARLE & CO. (US) 2000-06-06 US disclosed
US-6046211-A TREATMENT OF ARTHRITIS OR INFLAMMATORY BOWEL DISEASE, CARDIOVASCULAR ISCHEMIA, DIABETES, HYPERALGESIA (ALLODYNIA), CEREBRAL ISCHEMIA AND OTHER CNS DISORDERS G.D. SEARLE & CO. (US) 2000-04-04 US disclosed
EP-0724570-B1 AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 1999-03-03 EP disclosed
EP-0897912-A1 Amidino derivatives useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 1999-02-24 EP disclosed
US-5854234-A Amidino dervatives useful as nitric oxide synthase inhibitors G. D. SEARLE & CO. (US) 1998-12-29 US disclosed
CN-1137268-A Amidino derivatives useful as nitric oxide synthase inhibitors SEARLE & CO (US) 1996-12-04 CN disclosed
EP-0724570-A1 AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-08-07 EP disclosed
WO-1995011231-A1 AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G. D. SEARLE & CO. (US) 1995-04-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100035924-A1 NOVEL 4-AMINO-PYRIDINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS KCNN1, KCNN2, KCNN3 NPC1 2647/4885MAPK13 1662/4885MAPK12 1232/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.